Estriol, sulfate
TL;DR: Estriol, sulfate (CAS 12687-59-1) is a chemical compound with molecular formula C18H26O7S and molecular weight 386.13992 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol;sulfuric acid
Also Known As: Estriol, sulfate, KST-1A4013, (16, A,17, A)-estra-1,3,5(10)-triene-3,16,17-triol- sulfuric acid(1:1)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H26O7S |
| Molecular Weight | 386.13992 g/mol |
| XLogP | 1.9272 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 386.13992 Da |
| Heavy Atoms | 26 |
| Complexity | 493.0 |
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)O.OS(=O)(=O)O |
| InChIKey | RAQLYNMLUBVNHD-OBXBXFETSA-N |
Chemical Property Profile of Estriol, sulfate
Property Insights of Estriol, sulfate
The XLogP value of 1.9272 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Estriol, sulfate. The TPSA of 144.0 Ų indicates high polarity, suggesting Estriol, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Estriol, sulfate has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Estriol, sulfate?
The CAS number of Estriol, sulfate is 12687-59-1.
What is the molecular formula of Estriol, sulfate?
The molecular formula of Estriol, sulfate is C18H26O7S.
What is the molecular weight of Estriol, sulfate?
The molecular weight of Estriol, sulfate is 386.13992 g/mol.
Where can I buy Estriol, sulfate?
You can request a quote for Estriol, sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Estriol, sulfate?
Yes, CoreyChem provides custom synthesis services for Estriol, sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.